(4-methoxy-3-nitrophenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone

C19H19N3O4S — CID 8839927

IUPAC(4-methoxy-3-nitrophenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone
SMILESCOc1ccc(C(=O)N2C[C@H](C)S/C2=N\c2cccc(C)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H19N3O4S/c1-12-5-4-6-15(9-12)20-19-21(11-13(2)27-19)18(23)14-7-8-17(26-3)16(10-14)22(24)25/h4-10,13H,11H2,1-3H3/b20-19-/t13-/m0/s1
InChIKeyVUWFYYKRVAYLKX-UUPHZHHOSA-N
MW385.45 g/mol
LogP4.18
Rot. Bonds4

About (4-methoxy-3-nitrophenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone

(4-methoxy-3-nitrophenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone (PubChem CID 8839927) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is (4-methoxy-3-nitrophenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-3-nitrophenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone
PubChem CID8839927
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name(4-methoxy-3-nitrophenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone
SMILESCOc1ccc(C(=O)N2C[C@H](C)S/C2=N\c2cccc(C)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H19N3O4S/c1-12-5-4-6-15(9-12)20-19-21(11-13(2)27-19)18(23)14-7-8-17(26-3)16(10-14)22(24)25/h4-10,13H,11H2,1-3H3/b20-19-/t13-/m0/s1
InChIKeyVUWFYYKRVAYLKX-UUPHZHHOSA-N
XLogP4.18
TPSA85.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4-methoxy-3-nitrophenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3-(4-methoxy-3-nitrobenzoyl)-5-methyl-1,3-thiazolidin-2-ylidene]amino]-N,N-dimethylbenzenesulfonamide
CID 3293753
(4-methoxyphenyl)-[(5R)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone
CID 8839909
[(4R)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 2561505
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 717990
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 7353856
[(4S)-2-(2-ethoxyphenyl)imino-4-methyl-1,3-thiazolidin-3-yl]-(4-methoxy-3-nitrophenyl)methanone
CID 8913215
(4-methoxy-3-nitrophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427141
2,3-dihydroindol-1-yl-(4-methoxy-3-nitrophenyl)methanone
CID 786941
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
(3-aminopyrrolidin-1-yl)-(4-methoxy-3-nitrophenyl)methanone;hydrochloride
CID 119482996
(4-methoxy-3-nitrophenyl)-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95354055
(4-methoxy-3-nitrophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413913

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-nitrophenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (4-methoxy-3-nitrophenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone (CID 8839927) is (4-methoxy-3-nitrophenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (4-methoxy-3-nitrophenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (4-methoxy-3-nitrophenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone is COc1ccc(C(=O)N2C[C@H](C)S/C2=N\c2cccc(C)c2)cc1[N+](=O)[O-].
What is the InChIKey of (4-methoxy-3-nitrophenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone?
The InChIKey is VUWFYYKRVAYLKX-UUPHZHHOSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-12-5-4-6-15(9-12)20-19-21(11-13(2)27-19)18(23)14-7-8-17(26-3)16(10-14)22(24)25/h4-10,13H,11H2,1-3H3/b20-19-/t13-/m0/s1.
What are the key properties of (4-methoxy-3-nitrophenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone?
(4-methoxy-3-nitrophenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone has a molecular weight of 385.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-nitrophenyl)-[(5S)-5-methyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 8839927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).